[1-(tert-butylamino)-3-[(6-methyl-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)oxy]propan-2-yl] benzoate

Systemtic Name: [1-(tert-butylamino)-3-[(6-methyl-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)oxy]propan-2-yl] benzoate Openeye Name: [1-[(tert-butylamino)methyl]-2-[(6-methyl-2-thioxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl] benzoate CAS Name: benzoic acid [1-(tert-butylamino)-3-[(6-methyl-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)oxy]propan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-3-[(6-methyl-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)oxy]propan-2-yl] benzoate Traditional Name: benzoic acid [1-[(tert-butylamino)methyl]-2-[(6-methyl-2-thioxo-1,3-dihydrobenzimidazol-4-yl)oxy]ethyl] ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3)NC(=S)N2

Isomeric SMILES

CC1=CC2=C(C(=C1)OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3)NC(=S)N2

InChI

InChI=1S/C22H27N3O3S/c1-14-10-17-19(25-21(29)24-17)18(11-14)27-13-16(12-23-22(2,3)4)28-20(26)15-8-6-5-7-9-15/h5-11,16,23H,12-13H2,1-4H3,(H2,24,25,29)